methyl (3S)-3-(2-methoxyphenyl)-2,2-dimethyl-5-phenyl-pent-4-ynoate

Systemtic Name: methyl (3S)-3-(2-methoxyphenyl)-2,2-dimethyl-5-phenyl-pent-4-ynoate Openeye Name: methyl (3S)-3-(2-methoxyphenyl)-2,2-dimethyl-5-phenyl-pent-4-ynoate CAS Name: (3S)-3-(2-methoxyphenyl)-2,2-dimethyl-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl (3S)-3-(2-methoxyphenyl)-2,2-dimethyl-5-phenylpent-4-ynoate Traditional Name: (3S)-3-(2-methoxyphenyl)-2,2-dimethyl-5-phenyl-pent-4-ynoic acid methyl ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C#CC1=CC=CC=C1)C2=CC=CC=C2OC)C(=O)OC

Isomeric SMILES

CC(C)([C@@H](C#CC1=CC=CC=C1)C2=CC=CC=C2OC)C(=O)OC

InChI

InChI=1S/C21H22O3/c1-21(2,20(22)24-4)18(15-14-16-10-6-5-7-11-16)17-12-8-9-13-19(17)23-3/h5-13,18H,1-4H3/t18-/m0/s1